N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]adamantane-1-carboxamide Openeye Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]adamantane-1-carboxamide CAS Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methyl-1-piperazinyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]adamantane-1-carboxamide Traditional Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazino)ethyl]adamantane-1-carboxamide Formula: C28H42N4O MolecularWeight: 450.65928

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC6=C(C=C5)N(CCC6)C

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC6=C(C=C5)N(CCC6)C

InChI

InChI=1S/C28H42N4O/c1-30-8-10-32(11-9-30)26(24-5-6-25-23(15-24)4-3-7-31(25)2)19-29-27(33)28-16-20-12-21(17-28)14-22(13-20)18-28/h5-6,15,20-22,26H,3-4,7-14,16-19H2,1-2H3,(H,29,33)